Hi, Paliwal, You may use the small tool - spacegroup - in ELK package to convert space group number to ibrav=0 + CELL_PARAMETERS set. Or, you could also choose the small code - cif2cell - to complete the space group number to the format PWscf uses. Kind Regards,
-- GAO Zhe, Dr., Research Engineer, Gypsum Activity R&D - Asia, Saint-Gobain Research Shanghai Co., Ltd., No. 55, Wenjing-road, Minhang-district, Shanghai, China, Tel: +86-21-5475-7251 At 2016-12-23 16:10:48, "Uttam Paliwal" <uttam...@gmail.com> wrote: Hi how to provide crustal space group number (eg 216 for zinc blende type) instead of ibrav lebel. --
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